6alpha-Senecioyloxychaparrinone
TL;DR: 6alpha-Senecioyloxychaparrinone (CAS 68499-52-5) is a chemical compound with molecular formula C25H32O9 and molecular weight 476.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,5R,6R,7S,11S,12R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate
Also Known As: 6alpha-Senecioyloxychaparrinone, [(4R,5R,6R,7S,11S,12R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate, Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,6alpha,11beta,12alpha)-, 2H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-ene-2,16-dione deriv., Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-6-[(3-methyl-1-oxo-2-butenyl)oxy]-, (1.beta.,6.alpha.,11.beta.,12.alpha.)-
| Molecular Formula | C25H32O9 |
|---|---|
| Molecular Weight | 476.20 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.20462 |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 68499-52-5 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CC(=O)O[C@H]3C24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H]([C@H]3OC(=O)C=C(C)C)C(=CC(=O)[C@H]5O)C)C)O |
| InChIKey | JLEOCIUEZOZFST-RFQAPRIBSA-N |
Product Overview
6alpha-Senecioyloxychaparrinone (CAS 68499-52-5), with molecular formula C25H32O9 and molecular weight 476.20 g/mol. IUPAC: [(4R,5R,6R,7S,11S,12R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate.
Chemical Property Profile of 6alpha-Senecioyloxychaparrinone
Property Insights of 6alpha-Senecioyloxychaparrinone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6alpha-Senecioyloxychaparrinone. The TPSA of 140.0 Ų indicates high polarity, suggesting 6alpha-Senecioyloxychaparrinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6alpha-Senecioyloxychaparrinone has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6alpha-Senecioyloxychaparrinone?
The CAS number of 6alpha-Senecioyloxychaparrinone is 68499-52-5.
What is the molecular formula of 6alpha-Senecioyloxychaparrinone?
The molecular formula of 6alpha-Senecioyloxychaparrinone is C25H32O9.
What is the molecular weight of 6alpha-Senecioyloxychaparrinone?
The molecular weight of 6alpha-Senecioyloxychaparrinone is 476.20 g/mol.
Where can I buy 6alpha-Senecioyloxychaparrinone?
You can request a quote for 6alpha-Senecioyloxychaparrinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6alpha-Senecioyloxychaparrinone?
Yes, KEHONG BIO provides custom synthesis services for 6alpha-Senecioyloxychaparrinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.